N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide

C22H24ClN5O — CID 99741295

IUPACN-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1
InChIInChI=1S/C22H24ClN5O/c1-27(2)19-5-3-4-16(12-19)22(29)24-18-10-11-28(14-18)21-13-20(25-26-21)15-6-8-17(23)9-7-15/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,24,29)(H,25,26)/t18-/m1/s1
InChIKeyGGEKQYKYAMNFFH-GOSISDBHSA-N
MW409.92 g/mol
LogP3.80
Rot. Bonds5

About N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide

N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide (PubChem CID 99741295) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide
PubChem CID99741295
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC NameN-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1
InChIInChI=1S/C22H24ClN5O/c1-27(2)19-5-3-4-16(12-19)22(29)24-18-10-11-28(14-18)21-13-20(25-26-21)15-6-8-17(23)9-7-15/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,24,29)(H,25,26)/t18-/m1/s1
InChIKeyGGEKQYKYAMNFFH-GOSISDBHSA-N
XLogP3.80
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741585
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-(dimethylamino)benzamide
CID 99741297
3-(dimethylamino)-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741492
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-cyanobenzamide
CID 99741515
3-chloro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741552
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzamide
CID 99741527
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741299
4-bromo-N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99744827
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741271
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91888020
4-acetamido-N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888039

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide (CID 99741295) is N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1.
What is the InChIKey of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide?
The InChIKey is GGEKQYKYAMNFFH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-27(2)19-5-3-4-16(12-19)22(29)24-18-10-11-28(14-18)21-13-20(25-26-21)15-6-8-17(23)9-7-15/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,24,29)(H,25,26)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide?
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide has a molecular weight of 409.92 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 99741295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).